N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

C23H29N5O2 — CID 95099407

About N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 95099407) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
• PubChem CID: 95099407
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
• SMILES: CC[C@H]1CCCCN1CCNC(=O)Cn1c(=O)n(-c2ccccc2)c2ncccc21
• InChI: InChI=1S/C23H29N5O2/c1-2-18-9-6-7-15-26(18)16-14-24-21(29)17-27-20-12-8-13-25-22(20)28(23(27)30)19-10-4-3-5-11-19/h3-5,8,10-13,18H,2,6-7,9,14-17H2,1H3,(H,24,29)/t18-/m0/s1
• InChIKey: XNMQXRBMJUIFDY-SFHVURJKSA-N
• XLogP: 2.57
• TPSA: 72.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?

The IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (CID 95099407) is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.

What is the SMILES notation for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?

The canonical SMILES for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is CC[C@H]1CCCCN1CCNC(=O)Cn1c(=O)n(-c2ccccc2)c2ncccc21.

What is the InChIKey of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?

The InChIKey is XNMQXRBMJUIFDY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-18-9-6-7-15-26(18)16-14-24-21(29)17-27-20-12-8-13-25-22(20)28(23(27)30)19-10-4-3-5-11-19/h3-5,8,10-13,18H,2,6-7,9,14-17H2,1H3,(H,24,29)/t18-/m0/s1.

What are the key properties of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?

N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 95099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).